N-[2-tert-butyl-5-(4-chlorophenyl)-4-cyano-pyrazol-3-yl]-3-(trifluoromethyl)benzamide

Systemtic Name: N-[2-tert-butyl-5-(4-chlorophenyl)-4-cyano-pyrazol-3-yl]-3-(trifluoromethyl)benzamide Openeye Name: N-[2-tert-butyl-5-(4-chlorophenyl)-4-cyano-pyrazol-3-yl]-3-(trifluoromethyl)benzamide CAS Name: N-[2-tert-butyl-5-(4-chlorophenyl)-4-cyano-3-pyrazolyl]-3-(trifluoromethyl)benzamide IUPAC Name: N-[2-tert-butyl-5-(4-chlorophenyl)-4-cyanopyrazol-3-yl]-3-(trifluoromethyl)benzamide Traditional Name: N-[2-tert-butyl-5-(4-chlorophenyl)-4-cyano-pyrazol-3-yl]-3-(trifluoromethyl)benzamide Formula: C22H18ClF3N4O MolecularWeight: 446.85273

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=C(C(=N1)C2=CC=C(C=C2)Cl)C#N)NC(=O)C3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

CC(C)(C)N1C(=C(C(=N1)C2=CC=C(C=C2)Cl)C#N)NC(=O)C3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C22H18ClF3N4O/c1-21(2,3)30-19(17(12-27)18(29-30)13-7-9-16(23)10-8-13)28-20(31)14-5-4-6-15(11-14)22(24,25)26/h4-11H,1-3H3,(H,28,31)